dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)

C50H74N6O4Si4Zn2 — CID 139107796

About dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)

dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate) (PubChem CID 139107796) has the molecular formula C50H74N6O4Si4Zn2 and a molecular weight of 1066.30 g/mol. Its IUPAC name is dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate).

Molecular Properties

• Compound Name: dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)
• PubChem CID: 139107796
• Molecular Formula: C50H74N6O4Si4Zn2
• Molecular Weight: 1066.30 g/mol
• Exact Mass: 1062.34
• IUPAC Name: dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)
• SMILES: CC(C)[C@H]1COC(c2ccccc2/N=C(/[O-])c2ccccc2)=N1.CC(C)[C@H]1COC(c2ccccc2/N=C(/[O-])c2ccccc2)=N1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2].[Zn+2]
• InChI: InChI=1S/2C19H20N2O2.2C6H18NSi2.2Zn/c2*1-13(2)17-12-23-19(21-17)15-10-6-7-11-16(15)20-18(22)14-8-4-3-5-9-14;2*1-8(2,3)7-9(4,5)6;;/h2*3-11,13,17H,12H2,1-2H3,(H,20,22);2*1-6H3;;/q;;2*-1;2*+2/p-2/t2*17-;;;;/m11..../s1
• InChIKey: QKHUIUVXRTVBSV-VXTSVGIPSA-L
• XLogP: 11.91
• TPSA: 142.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.30
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)?

The IUPAC name of dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate) (CID 139107796) is dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate).

What is the SMILES notation for dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)?

The canonical SMILES for dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate) is CC(C)[C@H]1COC(c2ccccc2/N=C(/[O-])c2ccccc2)=N1.CC(C)[C@H]1COC(c2ccccc2/N=C(/[O-])c2ccccc2)=N1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2].[Zn+2].

What is the InChIKey of dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)?

The InChIKey is QKHUIUVXRTVBSV-VXTSVGIPSA-L. The full InChI is InChI=1S/2C19H20N2O2.2C6H18NSi2.2Zn/c2*1-13(2)17-12-23-19(21-17)15-10-6-7-11-16(15)20-18(22)14-8-4-3-5-9-14;2*1-8(2,3)7-9(4,5)6;;/h2*3-11,13,17H,12H2,1-2H3,(H,20,22);2*1-6H3;;/q;;2*-1;2*+2/p-2/t2*17-;;;;/m11..../s1.

What are the key properties of dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)?

dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate) has a molecular weight of 1066.30 g/mol, XLogP of 11.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate) is sourced from PubChem (CID 139107796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).